Modeling on Hydrogen Storage Properties in Nanostructured Materials by High Performance Computing
- Modeling on Hydrogen Storage Properties in Nanostructured Materials by High Performance Computing
- 히로시 미즈세키
- multiscale; high performance computing
- Issue Date
- International Conference on Computational & Experimental Engineering and Sciences, ICCES2014
- There have also been numerous experimental studies on the hydrogen storage
capacity of the surfaces of nanoscale materials for molecular hydrogen. Nevertheless,
there are questions that remain regarding the properties of relatively simple storage
systems, and these need to be answered. With interest remaining steady throughout
the last decade, rapid progress in computer simulation for hydrogen storage materials
has been made in this time, stimulated by successes on the experimental front.
Due to their low density, organic nanostructured materials have been considered
to be promising candidates for the storage of hydrogen. As regards hydrogen
adsorption in nanoscale materials, first principles calculations can be extremely useful
for understanding the properties of the adsorption process and give insight into the
phenomenon. In this presentation we will present a brief summary of hydrogen
storage technology in general and focus on the results of first principles calculations
for nanoscale materials, such as graphene, BN sheet, carbon materials, and
nanostructured nanomaterials. These results showed that the binding energy between
the hydrogen molecules and the storage material can be controlled by the doping of
alkali metals such as lithium, sodium, and potassium.
- Appears in Collections:
- KIST Publication > Conference Paper
- Files in This Item:
There are no files associated with this item.
- RIS (EndNote)
- XLS (Excel)
Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.